SCHEMBL718347

SCHEMBL718347

COC(=O)c1cn(-c2ccccc2Cl)nc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
MAPT P10636 2/20 0.46
MYC P01106 1/20 0.46
PDE4B Q07343 1/20 0.45
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NR4A2 P43354 2/20 0.42
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.41
BRD4 O60885 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL721434 0.83 KMT2A (0.47) MAPTMYCKMT2AALDH1A1NR4A2
SCHEMBL11290153 0.83 GAA (0.44) PARP1MAPTMYCKMT2AALDH1A1
SCHEMBL716746 0.80 MAPT (0.69) MAPTKMT2AALDH1A1NR4A2MEN1
SCHEMBL720934 0.77 CA12 (0.59) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL14996591 0.77 CYP1A2 (0.44) PARP1MAPTPDE4BKMT2AALDH1A1
SCHEMBL721457 0.77 MAPT (0.54) PARP1MAPTKMT2AALDH1A1MEN1
SCHEMBL717884 0.73 NPC1 (0.42) MAPTKMT2AMEN1L3MBTL1NPC1
SCHEMBL12871887 0.72 PDE4B (0.44) PARP1MAPTPDE4BKMT2AALDH1A1
SCHEMBL719038 0.71 L3MBTL1 (0.62) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL718166 0.71 KMT2A (0.52) MAPTKMT2AALDH1A1MEN1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PARP1 4426/4885MAPT 4533/4885MYC 167/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PARP1 4426/4885MAPT 4533/4885MYC 167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.